Acetylcholine esterase (AChE) inhibitors

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME CAS FORMULA MWTerraQSAR - LOGP
phosphoric acid, dimethyl, (1,2,2,2-tetrachloroethyl) ester 3862-21-3 C4H7Cl4O4P 291.88
2.57
phosphoramidocyanidic acid, dimethyl-, methyl ester 63815-56-5 C4H9N2O2P 148.10
0.38
phosphonofluoridic acid, dimethylamido, ethy ester 358-29-2 C4H11FNO2P 155.11
0.32
dimefox 115-26-4 C4H12FN2OP 154.12
0.36
diethyl phosphorocyanidate 2942-58-7 C5H10NO3P 163.11
0.37
OS 1836; phosphoric acid, 2-chlorovinyl diethyl ester 311-47-7 C6H12ClO4P 214.58
1.55
phosphoramidocyanidic acid, dimethyl-, 1-methylethyl ester 63815-55-4 C6H13N2O2P 176.16
0.38
demeton-S-methylsulfone; isomethylsystox sulfone 17040-19-6 C6H15O5PS2 262.28
0.11
phosphoramidocyanidic acid, diethyl-, ethyl ester 63815-60-1 C7H15N2O2P 190.18
0.38
thiophosphoric acid, O,O-diethyl, S-(ethylsulfomethyl) ester 2588-05-8 C7H17O4PS2 260.31
2.07
thiophosphoric acid, O,O-dimethyl, S-(4-nitrophenyl) ester 3820-53-9 C8H10NO5PS 263.21
2.09
thiophosphoric acid, O,S-dimethyl, O-(4-nitrophenyl) ester 597-89-7 C8H10NO5PS 263.21
1.56
DDP; phoshoric acid, 2,2-dichlorovinyl, di-n-propyl ester 71-98-7 C8H15Cl2O4P 277.08
1.47
phosphoric acid, diethyl, (3-methylpyrazol-5-yl) ester 108-34-9 C8H15N2O4P 234.19
3.58
demeton-S sulfoxide; isodemeton sulfoxide; thiol systox sulfoxide 2496-92-6 C8H19O4PS2 274.33
-0.66
demeton-S sulfone; isodemeton sulfone; thiol systox sulfone 2496-91-5 C8H19O5PS2 290.33
0.74
phosphonofluoridic acid, bis(diethylamido) 562-17-4 C8H20FN2OP 210.23
1.24
phosphorothioic acid, O,O-diethyl S-(2-dimethylaminoethyl) ester; 217 AO 3147-20-4 C8H20NO3PS 241.29
-0.75
ecothiopate iodide; O,O-diethyl phosphoryl thiocholine iodide 513-10-0 C9H23INO3PS 383.23
-0.35
thiophosphoric acid, O,O-diethyl, S-(4-nitrophenyl) ester; parathion-S 3270-86-8 C10H14NO5PS 291.26
2.53
thiophosphoric acid, O,S-diethyl, O-(4-nitrophenyl) ester 597-88-6 C10H14NO5PS 291.26
1.81
procymate 13931-64-1 C10H19NO2 185.27
2.67
amiton; phosphorothioic acid, S-[2-(diethylamino)ethyl] O,O-diethyl ester 78-53-5 C10H24NO3PS 269.34
-0.68
zifrosilone 132236-18-1 C11H13F3OSi 246.30
3.56
levisoprenaline 51-31-0 C11H17NO3 211.26
1.24
ipidacrine 62732-44-9 C12H16N2 188.27
0.91
tetra(N-mono-isopropyl) pyrophosphortetramide; DPDA; Iso-OMPA 513-00-8 C12H32N4O3P2 342.36
1.26
tacrine 321-64-2 C13H14N2 198.27
2.71
rivastigmine; Exelon 123441-03-2 C14H22N2O2 250.34
1.91
velnacrine 112964-98-4 C17H18N2O5 330.34
2.34
galanthamine; galantamine; Reminyl 357-70-0 C17H21NO3 287.36
2.42
itopride 122898-67-3 C20H26N2O4 358.44
2.33
eptastigmine 101246-68-8 C21H33N3O2 359.51
2.41
quilostigmine [stereochemistry uncertain] 139314-01-5 C23H27N3O2 377.49
3.88
demecarium bromide 56-94-0 C32H52Br2N4O4 716.61
2.84


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